==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-13 4J6S . COMPND 2 MOLECULE: 14-3-3 PROTEIN GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MILENI,A.MARTINEZ,R.C.STEVENS . 990 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 82.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 697 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 4 4 0 2 0 6 0 0 1 3 0 0 0 0 8 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A G 0 0 112 0, 0.0 3,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 61.8 -25.3 -3.1 13.0 2 1 A L + 0 0 64 1,-0.1 2,-0.3 32,-0.1 579,-0.1 0.338 360.0 48.8-122.6 -0.6 -28.2 -4.6 10.9 3 2 A V S S- 0 0 43 578,-0.0 2,-1.0 31,-0.0 -1,-0.1 -0.962 102.0 -88.0-128.8 158.6 -26.3 -5.8 7.8 4 3 A D > + 0 0 63 -2,-0.3 4,-0.8 1,-0.2 -2,-0.0 -0.490 44.9 173.6 -77.9 101.6 -23.2 -7.9 7.7 5 4 A R H > S+ 0 0 44 -2,-1.0 4,-2.0 2,-0.2 5,-0.2 0.812 72.6 61.0 -70.8 -41.8 -20.2 -5.5 7.8 6 5 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 102.1 54.3 -61.5 -41.5 -17.4 -8.1 8.2 7 6 A Q H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 106.9 51.6 -55.9 -40.4 -18.4 -9.7 4.9 8 7 A L H X S+ 0 0 21 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.912 109.8 47.0 -68.2 -43.6 -18.1 -6.3 3.1 9 8 A V H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.869 111.8 53.5 -62.5 -35.6 -14.7 -5.6 4.4 10 9 A Q H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.869 107.9 49.2 -69.2 -35.9 -13.7 -9.1 3.4 11 10 A K H X S+ 0 0 68 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.873 108.7 53.8 -67.9 -37.0 -15.0 -8.5 -0.1 12 11 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.921 108.4 49.3 -60.7 -45.0 -13.0 -5.4 -0.2 13 12 A R H X S+ 0 0 55 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.883 113.4 47.2 -63.0 -40.7 -9.8 -7.3 0.8 14 13 A L H >X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 3,-0.8 0.979 110.4 49.8 -62.6 -58.4 -10.5 -9.9 -1.9 15 14 A A H 3<>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.3 -2,-0.2 0.844 107.3 57.3 -46.9 -43.5 -11.2 -7.3 -4.7 16 15 A E H ><5S+ 0 0 68 -4,-2.2 3,-1.3 1,-0.2 -1,-0.3 0.884 107.8 46.1 -56.5 -43.2 -7.9 -5.6 -3.7 17 16 A Q H <<5S+ 0 0 125 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.841 112.2 51.1 -74.8 -29.4 -5.9 -8.7 -4.3 18 17 A A T 3<5S- 0 0 6 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.342 111.3-124.8 -81.8 5.1 -7.8 -9.2 -7.5 19 18 A E T < 5 + 0 0 144 -3,-1.3 2,-0.5 -5,-0.2 -3,-0.2 0.881 66.2 139.3 48.4 44.1 -6.9 -5.6 -8.5 20 19 A R >< + 0 0 37 -5,-2.6 4,-2.1 1,-0.1 3,-0.3 -0.685 20.8 169.3-114.0 75.6 -10.6 -5.0 -9.1 21 20 A Y H > + 0 0 52 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.762 69.1 61.0 -70.3 -27.4 -10.8 -1.5 -7.5 22 21 A D H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 110.7 41.8 -61.8 -50.6 -14.3 -0.6 -8.7 23 22 A D H > S+ 0 0 35 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.929 114.9 52.8 -55.1 -49.3 -15.7 -3.6 -6.7 24 23 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.921 109.3 47.5 -56.3 -49.1 -13.3 -2.7 -3.8 25 24 A A H X S+ 0 0 6 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.917 110.4 52.7 -59.8 -44.5 -14.6 0.9 -3.7 26 25 A A H X S+ 0 0 57 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.816 109.6 49.0 -63.0 -34.4 -18.2 -0.2 -3.8 27 26 A A H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 3,-0.2 0.960 113.8 44.4 -66.9 -52.9 -17.7 -2.5 -0.9 28 27 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.804 109.6 56.7 -66.3 -30.6 -15.9 0.1 1.3 29 28 A K H X S+ 0 0 26 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.3 0.889 108.4 48.2 -61.7 -40.1 -18.6 2.7 0.3 30 29 A N H X S+ 0 0 70 -4,-1.2 4,-0.7 -3,-0.2 -2,-0.2 0.921 110.9 49.7 -64.9 -45.4 -21.1 0.2 1.7 31 30 A V H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 5,-0.5 0.928 111.4 49.9 -57.8 -48.7 -19.1 -0.2 4.9 32 31 A T H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.902 103.8 59.6 -56.2 -43.8 -18.8 3.5 5.2 33 32 A E H 3< S+ 0 0 14 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.667 84.6 76.8 -66.7 -16.0 -22.6 3.9 4.7 34 33 A L T << S- 0 0 44 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.560 103.7-131.4 -70.4 -8.8 -23.3 1.7 7.8 35 34 A N < + 0 0 58 -3,-2.1 -2,-0.1 1,-0.2 -3,-0.1 0.574 63.7 121.2 74.5 17.0 -22.3 4.9 9.6 36 35 A E S S- 0 0 93 -5,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 -0.722 70.7 -86.9-104.2 159.7 -19.8 3.5 12.1 37 36 A P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.224 41.2-120.9 -63.6 155.9 -16.2 4.6 12.4 38 37 A L - 0 0 12 71,-0.1 -6,-0.0 1,-0.1 82,-0.0 -0.816 18.5-128.4-100.5 135.9 -13.5 3.0 10.3 39 38 A S > - 0 0 54 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.148 35.9 -98.2 -66.1 171.4 -10.5 1.1 11.7 40 39 A N H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.929 127.1 46.6 -57.9 -44.6 -7.1 2.0 10.5 41 40 A E H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 113.2 48.6 -62.7 -46.8 -7.1 -0.9 8.1 42 41 A E H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.895 107.2 55.7 -63.4 -44.1 -10.6 -0.1 6.8 43 42 A R H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.917 109.5 47.4 -48.1 -49.2 -9.7 3.6 6.3 44 43 A N H X S+ 0 0 62 -4,-1.7 4,-3.6 2,-0.2 5,-0.2 0.866 106.7 56.0 -68.2 -36.9 -6.8 2.5 4.1 45 44 A L H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 112.1 43.5 -61.9 -42.2 -9.0 0.0 2.1 46 45 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.962 115.6 48.3 -59.9 -53.8 -11.3 2.9 1.2 47 46 A S H X S+ 0 0 16 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 115.1 46.1 -54.9 -46.0 -8.4 5.3 0.5 48 47 A V H X S+ 0 0 9 -4,-3.6 4,-2.2 2,-0.2 -1,-0.2 0.881 110.0 51.7 -67.7 -44.4 -6.7 2.6 -1.7 49 48 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -24,-0.2 0.962 116.4 38.8 -57.1 -54.7 -9.8 1.6 -3.7 50 49 A Y H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.826 111.8 57.7 -71.0 -30.9 -10.8 5.2 -4.7 51 50 A K H X S+ 0 0 36 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.942 112.0 42.8 -63.2 -44.6 -7.1 6.3 -5.2 52 51 A N H X S+ 0 0 50 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.842 114.0 50.8 -65.9 -38.8 -6.8 3.4 -7.8 53 52 A V H X S+ 0 0 8 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.971 117.8 36.6 -68.2 -52.4 -10.2 4.1 -9.4 54 53 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.835 112.8 62.0 -66.3 -29.7 -9.6 7.8 -9.9 55 54 A G H X S+ 0 0 23 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.877 97.8 55.4 -65.7 -38.9 -5.9 7.2 -10.7 56 55 A A H X S+ 0 0 52 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.863 111.8 45.1 -60.1 -35.2 -6.7 5.1 -13.7 57 56 A R H X S+ 0 0 45 -4,-0.9 4,-2.8 -3,-0.2 -2,-0.2 0.831 110.3 52.3 -81.1 -32.8 -8.7 8.0 -15.0 58 57 A R H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 110.9 49.6 -61.7 -44.0 -6.1 10.6 -14.2 59 58 A S H X S+ 0 0 58 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.907 113.9 44.0 -62.2 -43.9 -3.6 8.5 -16.1 60 59 A S H X S+ 0 0 9 -4,-1.5 4,-2.3 -5,-0.2 5,-0.3 0.965 110.9 55.0 -64.0 -51.2 -5.8 8.2 -19.1 61 60 A W H X S+ 0 0 39 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.842 107.7 49.9 -51.3 -39.2 -6.8 11.9 -19.0 62 61 A R H X S+ 0 0 84 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.934 109.2 49.9 -70.4 -43.4 -3.1 12.9 -19.1 63 62 A V H X S+ 0 0 51 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.887 117.6 41.3 -59.3 -40.8 -2.3 10.7 -22.1 64 63 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.923 110.6 55.0 -78.3 -45.1 -5.3 12.1 -23.9 65 64 A S H X S+ 0 0 17 -4,-3.2 4,-0.7 -5,-0.3 -2,-0.2 0.916 111.5 47.7 -49.7 -44.1 -4.8 15.7 -22.9 66 65 A S H >X S+ 0 0 55 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.894 109.4 50.2 -68.3 -41.0 -1.3 15.5 -24.2 67 66 A I H 3X S+ 0 0 21 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.859 105.8 60.5 -59.7 -35.0 -2.3 13.9 -27.6 68 67 A E H 3X S+ 0 0 34 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.750 102.3 52.2 -66.6 -23.7 -4.9 16.8 -27.8 69 68 A Q H X S+ 0 0 30 -4,-1.8 3,-1.2 -5,-0.2 4,-0.5 0.906 101.0 55.1 -70.3 -43.4 -3.1 17.1 -32.5 72 71 A S H >< S+ 0 0 64 -4,-1.6 3,-0.8 1,-0.3 -1,-0.2 0.812 99.7 62.2 -65.8 -28.0 -4.6 20.6 -32.4 73 72 A A H 3< S+ 0 0 83 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.799 100.4 53.9 -64.9 -27.9 -1.4 22.0 -34.1 74 73 A D H << S- 0 0 134 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.573 102.4-136.8 -83.5 -14.1 -2.1 19.8 -37.2 75 74 A G << + 0 0 53 -3,-0.8 2,-0.5 -4,-0.5 -3,-0.1 0.946 42.8 155.0 56.5 65.3 -5.6 21.2 -37.7 76 75 A N > - 0 0 74 -5,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.981 28.1-159.7-115.1 115.7 -7.9 18.3 -38.5 77 76 A E H > S+ 0 0 167 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.931 89.2 50.3 -58.0 -53.4 -11.5 19.0 -37.5 78 77 A K H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 117.0 41.0 -56.8 -42.2 -12.7 15.4 -37.3 79 78 A K H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.818 112.6 53.0 -77.4 -36.2 -9.8 14.4 -35.1 80 79 A I H X S+ 0 0 57 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.881 112.5 46.2 -64.7 -40.1 -9.8 17.5 -32.9 81 80 A E H X S+ 0 0 50 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.986 112.2 50.3 -64.3 -58.5 -13.5 16.9 -32.2 82 81 A M H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.825 114.0 44.0 -46.5 -46.4 -13.1 13.2 -31.5 83 82 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.882 112.1 52.1 -70.0 -43.4 -10.2 13.7 -29.1 84 83 A R H X S+ 0 0 48 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.945 111.8 47.8 -55.9 -49.1 -12.0 16.6 -27.3 85 84 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 112.1 48.2 -59.9 -44.5 -15.0 14.4 -26.9 86 85 A Y H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.865 110.1 51.9 -70.3 -35.6 -13.1 11.4 -25.5 87 86 A R H X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.940 109.8 50.3 -61.4 -46.6 -11.2 13.6 -23.1 88 87 A E H X S+ 0 0 55 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.906 106.1 56.2 -54.5 -45.2 -14.5 14.9 -21.9 89 88 A K H X S+ 0 0 77 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.933 110.2 44.2 -58.1 -48.4 -15.8 11.4 -21.5 90 89 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.891 109.8 57.2 -60.0 -42.5 -12.9 10.5 -19.2 91 90 A E H X S+ 0 0 25 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.949 104.9 50.5 -55.1 -49.6 -13.3 13.8 -17.3 92 91 A K H X S+ 0 0 99 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.848 110.9 48.8 -63.3 -35.5 -16.9 13.1 -16.4 93 92 A E H X S+ 0 0 55 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.941 111.9 49.8 -62.6 -47.8 -16.0 9.7 -15.1 94 93 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.899 112.5 46.3 -59.5 -44.0 -13.2 11.2 -13.0 95 94 A E H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.875 108.5 55.7 -69.7 -39.4 -15.4 13.8 -11.5 96 95 A A H X S+ 0 0 50 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.879 109.3 46.6 -60.3 -41.3 -18.2 11.4 -10.7 97 96 A V H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 110.4 55.2 -64.2 -41.6 -15.7 9.2 -8.7 98 97 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.910 109.0 45.2 -61.2 -43.4 -14.5 12.4 -7.0 99 98 A Q H X S+ 0 0 20 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.884 108.0 59.5 -63.6 -40.8 -18.0 13.4 -5.8 100 99 A D H X S+ 0 0 39 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.968 113.2 36.2 -53.5 -57.2 -18.7 9.9 -4.7 101 100 A V H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.927 116.2 53.4 -61.5 -49.5 -15.7 10.0 -2.3 102 101 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.854 107.7 52.2 -57.8 -36.3 -16.1 13.7 -1.3 103 102 A S H X S+ 0 0 13 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.891 109.4 48.5 -67.4 -41.3 -19.7 13.0 -0.4 104 103 A L H X>S+ 0 0 1 -4,-1.6 5,-2.3 -5,-0.2 4,-1.9 0.921 113.0 49.4 -61.6 -45.2 -18.7 10.1 1.8 105 104 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 3,-0.2 6,-0.7 0.937 117.3 38.8 -60.4 -47.4 -16.1 12.3 3.4 106 105 A D H <5S+ 0 0 56 -4,-2.7 5,-0.3 1,-0.2 -2,-0.2 0.910 126.0 34.0 -69.8 -41.7 -18.5 15.3 4.1 107 106 A N H <5S+ 0 0 5 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.566 134.9 7.6-100.8 -10.3 -21.6 13.3 5.1 108 107 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.0 -5,-0.2 -3,-0.2 0.581 122.7 40.1-128.4 -61.7 -20.1 10.3 6.9 109 108 A L T 44 - 0 0 60 -2,-0.5 3,-2.6 1,-0.1 7,-0.2 -0.502 32.4 -99.0 -77.3 155.8 -15.3 13.4 17.6 115 114 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.716 121.3 46.0 -50.7 -29.9 -13.3 16.4 18.6 116 115 A T T 3 S+ 0 0 100 1,-0.1 2,-1.2 2,-0.0 -1,-0.3 0.279 80.4 96.7-102.8 9.5 -10.4 14.4 19.8 117 116 A Q <> + 0 0 70 -3,-2.6 4,-2.5 1,-0.2 5,-0.2 -0.484 46.3 156.3 -90.3 64.1 -10.0 11.9 16.9 118 117 A Y H > + 0 0 67 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.817 62.6 57.3 -65.6 -35.0 -7.4 14.1 15.4 119 118 A E H > S+ 0 0 63 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17 B A T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.415 111.8-125.1 -77.2 -0.6 -5.5 5.6 -22.6 260 18 B E T < 5 + 0 0 136 -3,-0.9 2,-0.7 -4,-0.3 -3,-0.2 0.880 65.3 140.9 52.5 42.0 -5.5 1.9 -21.7 261 19 B R >< + 0 0 33 -5,-2.7 4,-2.1 1,-0.2 -1,-0.2 -0.727 19.4 168.4-111.3 77.9 -9.3 1.9 -21.8 262 20 B Y H > + 0 0 48 -2,-0.7 4,-3.3 2,-0.2 5,-0.2 0.779 69.4 60.4 -70.6 -28.9 -9.7 -1.5 -23.5 263 21 B D H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.974 110.7 42.6 -59.5 -53.7 -13.5 -1.8 -22.9 264 22 B D H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 114.7 52.5 -52.3 -48.1 -13.9 1.4 -25.0 265 23 B M H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.925 108.7 48.3 -59.0 -48.0 -11.4 0.1 -27.5 266 24 B A H X S+ 0 0 6 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.924 110.1 52.6 -59.0 -44.9 -13.2 -3.2 -27.9 267 25 B A H X S+ 0 0 37 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.821 109.8 48.7 -62.1 -36.1 -16.5 -1.5 -28.4 268 26 B A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.961 113.8 45.0 -66.5 -52.9 -15.1 0.7 -31.1 269 27 B M H 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S+ 0 0 45 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.950 112.0 42.1 -65.1 -46.0 -7.2 -9.8 -25.4 293 51 B N H X S+ 0 0 50 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.844 114.1 51.3 -64.5 -40.7 -6.8 -7.1 -22.7 294 52 B V H >X S+ 0 0 9 -4,-2.3 4,-1.1 -5,-0.2 3,-0.5 0.983 117.9 36.7 -64.0 -56.2 -10.4 -7.1 -21.7 295 53 B V H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.798 112.6 62.2 -65.5 -27.7 -10.6 -10.9 -21.3 296 54 B G H 3X S+ 0 0 22 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.803 97.6 55.0 -71.8 -30.9 -7.1 -10.9 -19.8 297 55 B A H X S+ 0 0 56 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.882 110.0 50.4 -65.8 -41.2 -6.4 -20.0 -6.0 308 66 B I H 3X S+ 0 0 23 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.828 105.4 59.3 -63.4 -31.7 -7.8 -18.3 -2.9 309 67 B E H 3X S+ 0 0 32 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.749 103.1 52.1 -67.3 -23.5 -10.8 -20.6 -3.1 310 68 B Q H X S+ 0 0 30 -4,-1.5 3,-1.1 -5,-0.2 4,-0.5 0.889 100.7 55.0 -72.5 -41.9 -10.0 -21.4 1.7 313 71 B S H >< S+ 0 0 63 -4,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.802 100.3 62.1 -65.6 -28.3 -12.0 -24.6 1.3 314 72 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V H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.919 112.3 52.0 -64.5 -48.0 -15.6 -16.6 -2.7 325 83 B R H X S+ 0 0 46 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.948 111.2 48.1 -53.8 -49.4 -17.5 -19.1 -4.8 326 84 B A H X S+ 0 0 39 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.837 112.0 47.6 -62.5 -37.9 -20.0 -16.5 -5.7 327 85 B Y H X S+ 0 0 13 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.837 109.8 53.1 -74.2 -36.7 -17.4 -13.9 -6.6 328 86 B R H X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.930 109.8 49.8 -60.8 -46.5 -15.5 -16.4 -8.7 329 87 B E H X S+ 0 0 61 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.879 106.0 56.1 -56.8 -40.0 -18.7 -17.1 -10.6 330 88 B K H X S+ 0 0 93 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.951 110.3 44.1 -62.1 -48.4 -19.3 -13.4 -11.1 331 89 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.886 109.8 57.4 -59.3 -42.5 -15.9 -13.1 -12.8 332 90 B E H X S+ 0 0 28 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.944 105.2 49.9 -54.1 -49.4 -16.6 -16.2 -14.8 333 91 B K H X S+ 0 0 103 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.840 111.4 48.5 -63.6 -36.8 -19.8 -14.8 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